1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone

C15H19N3O2 — CID 102802705

IUPAC1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
SMILESCOc1c(C)cnc(CC(=O)c2cn(C)nc2C)c1C
InChIInChI=1S/C15H19N3O2/c1-9-7-16-13(10(2)15(9)20-5)6-14(19)12-8-18(4)17-11(12)3/h7-8H,6H2,1-5H3
InChIKeyQOSSHWPBGOAOQH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.17
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone

1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone (PubChem CID 102802705) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
PubChem CID102802705
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
SMILESCOc1c(C)cnc(CC(=O)c2cn(C)nc2C)c1C
InChIInChI=1S/C15H19N3O2/c1-9-7-16-13(10(2)15(9)20-5)6-14(19)12-8-18(4)17-11(12)3/h7-8H,6H2,1-5H3
InChIKeyQOSSHWPBGOAOQH-UHFFFAOYSA-N
XLogP2.17
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105090508
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 105090450
1-(3-chloro-2-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 107101566
1-(2,5-dibromophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968302
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
1-(4-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548821
1-(4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62620937
1-(2-chloro-4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62946334
1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114905820
1-(4-bromo-3-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968240
1-chloro-1,1-difluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 112574809
1-(3-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548641

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone (CID 102802705) is 1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone is COc1c(C)cnc(CC(=O)c2cn(C)nc2C)c1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
The InChIKey is QOSSHWPBGOAOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-7-16-13(10(2)15(9)20-5)6-14(19)12-8-18(4)17-11(12)3/h7-8H,6H2,1-5H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone?
1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone has a molecular weight of 273.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 102802705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).